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3,4-Dihydroxyhydrocinnamic acid, 3tbdms derivative

View entire compound with spectra: 1 NMR

3,4-Dihydroxyhydrocinnamic acid, 3tbdms derivative
SpectraBase Compound ID B9jzAVmIz9D
InChI InChI=1S/C27H52O4Si3/c1-25(2,3)32(10,11)29-22-18-16-21(20-23(22)30-33(12,13)26(4,5)6)17-19-24(28)31-34(14,15)27(7,8)9/h16,18,20H,17,19H2,1-15H3
InChIKey JMHNVFIWSDJNGF-UHFFFAOYSA-N
Mol Weight 525.0 g/mol
Molecular Formula C27H52O4Si3
Exact Mass 524.31734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ks81Lb02TAk
Name 3,4-Dihydroxyhydrocinnamic acid, 3tbdms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.317339755 u
Formula C27H52O4Si3
InChI InChI=1S/C27H52O4Si3/c1-25(2,3)32(10,11)29-22-18-16-21(20-23(22)30-33(12,13)26(4,5)6)17-19-24(28)31-34(14,15)27(7,8)9/h16,18,20H,17,19H2,1-15H3
InChIKey JMHNVFIWSDJNGF-UHFFFAOYSA-N
Molecular Weight 524.964 g/mol
SMILES C1=C(C(O[Si](C(C)(C)C)(C)C)=CC=C1CCC(O[Si](C)(C)C(C)(C)C)=O)O[Si](C(C)(C)C)(C)C